Craig, Previously, an off-the-shelf product had been used to create these fragments. As I try to recreate that fragmentation process, I am tasked with basically creating any fragment imaginable of a given length. I don't try to break at a ring or any specific bond, rather it really becomes a tree problem. I need to find every possible tree fragment that is unique.
Thanks! Elliot -- View this message in context: http://forums.openbabel.org/Fragmentation-tp3159761p3161054.html Sent from the openbabel-devel mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
